methyl 4-oxidanylidene-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[4-(1-piperidylsulfonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-piperidinosulfonylphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C17H23N3O5S2 MolecularWeight: 413.51162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C17H23N3O5S2/c1-25-16(22)10-9-15(21)19-17(26)18-13-5-7-14(8-6-13)27(23,24)20-11-3-2-4-12-20/h5-8H,2-4,9-12H2,1H3,(H2,18,19,21,26)